NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1071 7.8714 121.3932 60.6049 39.5005 174.2507 3 G 3.9097 8.2820 110.3362 43.8861 0.0000 170.5501 4 Y 4.9408 8.8802 119.4601 55.5309 41.7583 173.0813 5 L 4.3842 7.9025 126.5050 54.7371 43.0901 176.6264 6 F 4.8510 9.0299 125.6335 56.2764 41.8500 176.2348 7 G 3.9103 8.3414 118.7739 46.9678 0.0000 172.3760 8 N 4.5454 8.7896 119.2393 52.0369 37.4157 174.2758 9 R 4.9427 7.8632 116.1834 55.1358 35.0676 174.2664 10 V 4.7363 8.9968 122.1057 61.1696 33.9648 174.0240 11 L 4.8788 9.0404 131.1891 54.3514 43.0487 175.6744 12 V 4.4354 8.7480 122.9304 61.9941 33.2489 176.0752 13 D 4.6323 7.7880 115.7012 52.7787 43.4004 174.4905 *16 E 4.4130 7.9226 115.4107 56.5432 31.0135 174.9718 17 L 5.0057 8.7628 121.4339 52.1275 44.7402 174.5682 18 P 4.6729 0.0000 0.0000 62.6868 32.3642 177.3289 19 L 4.2571 8.8258 121.0376 58.1469 41.5933 179.7191 20 I 3.9289 7.9853 118.3373 63.9809 37.5640 177.3299 21 E 4.2075 8.2790 119.5856 58.9164 29.6681 178.3217 22 A 4.1970 8.3583 121.1638 55.0628 18.3661 179.0275 23 Y 4.1788 8.6662 118.4162 60.8891 38.8900 177.1198 24 Y 4.6141 8.2364 121.4718 60.4620 38.8755 178.4854 25 L 4.0458 8.0010 119.0980 57.4528 41.4902 179.2132 26 L 4.0705 7.5760 120.9853 57.6875 42.1012 178.3348 27 D 4.2351 7.8840 117.1049 56.7719 41.1673 177.5932 28 K 4.0308 7.5062 119.5942 57.5583 32.3266 177.3060 29 G 4.0751 7.8691 105.5186 45.3006 0.0000 173.5514 30 E 4.6276 7.8430 116.3362 55.1337 29.8708 175.3578 31 L 4.4776 7.4829 119.5516 54.5913 45.2826 173.3479 32 E 4.5965 8.6433 124.3522 54.5286 32.7442 175.4264 33 V 4.4734 6.9825 122.6730 60.6890 34.3641 174.1226 34 Y 4.3681 7.3498 114.6732 57.6321 41.4912 175.0117 35 E 3.8308 9.3850 126.2613 58.9366 29.6130 175.7733 36 D 4.8212 7.3497 113.7946 52.9864 45.3356 180.0109 37 D 4.0357 7.6367 118.8946 54.9334 41.5080 177.7987 *42 K 4.0714 8.5352 128.3966 57.1247 34.0248 174.9800 43 E 4.1399 8.6831 125.0049 59.0268 29.1688 179.4607 44 E 3.9397 8.1117 118.7130 59.5340 29.6517 178.9180 45 F 4.4549 8.2065 120.1603 61.1247 39.4476 176.7370 46 L 3.3860 7.9254 119.9949 57.7972 41.9948 178.8223 47 K 3.8159 7.9120 119.3859 59.4396 31.9391 178.9784 48 K 3.9564 7.6805 118.5313 59.5470 31.9585 179.1701 49 C 3.6116 7.6010 117.0872 62.5172 27.5196 176.1293 50 L 4.2043 7.5715 119.6422 57.5732 41.2631 179.1605 51 T 3.9713 7.4590 115.1310 66.7308 68.4238 175.5523 52 Y 4.5502 7.5376 120.4457 58.7562 39.2935 174.8444 53 D 4.4008 8.0842 120.0338 51.9400 43.1939 175.5636 54 E 4.0207 8.8167 125.6751 58.8548 29.9726 177.8493 55 R 4.4559 8.0687 117.5112 56.0766 30.6302 177.6544 56 F 4.0637 8.2776 122.4928 61.6270 39.1750 177.2385 57 L 4.0693 8.0518 117.8056 57.8053 41.0899 179.3248 58 I 3.6950 7.7574 119.1184 64.6581 37.1746 178.5017 59 R 4.0731 8.2477 119.0025 59.4251 29.3964 178.6603 60 Y 4.0356 8.4163 119.5765 60.5040 38.9186 177.7370 61 K 3.7496 8.2589 119.3580 59.5046 32.1489 179.1121 62 A 4.0646 7.6663 120.3482 55.2230 18.3128 179.0089 63 Y 3.5438 7.8715 117.9661 60.5935 38.8737 178.1204 64 K 3.8789 8.3650 120.9227 59.4742 31.6985 178.1835 65 E 3.9382 7.8662 118.4270 59.7771 29.4902 179.6099 66 L 3.8123 7.4689 118.1645 57.6064 41.4995 179.5167 67 R 4.3656 7.4099 119.9705 58.9274 29.6148 178.3418 68 D 4.4655 7.9131 118.1502 56.9029 40.8827 177.8727 69 K 4.3539 7.3768 115.5823 56.4736 32.3104 177.8362 70 G 3.8924 7.7570 108.5194 44.9448 0.0000 173.8368 71 Y 4.4183 7.9100 118.1135 57.9419 39.5462 174.5960 72 T 4.8840 8.5924 112.3542 59.9459 71.3939 172.9073 73 L 5.4367 8.6349 124.8808 53.0403 44.6345 175.7490 74 G 4.5204 9.0951 108.4490 44.3432 0.0000 171.7220 75 T 4.4604 8.8325 114.7214 61.8974 68.3048 173.4279 76 A 4.7190 8.1157 128.6220 51.6901 20.0787 178.0183 77 L 3.9094 7.7270 124.5822 59.3167 42.1593 179.6148 78 K 3.7629 7.7435 116.2848 59.1042 32.3375 177.3072 79 F 4.7340 7.7580 116.5647 57.5083 39.5764 176.7392 80 G 3.9051 8.5594 108.7185 45.2055 0.0000 172.8650 81 A 4.8025 7.4756 120.5781 49.8244 21.8127 177.3821 82 D 4.1940 8.2326 119.1099 56.9302 41.6143 176.5888 83 F 5.2999 8.0151 115.8231 55.7065 43.8423 173.7750 84 R 4.9303 9.4453 118.4935 54.8877 32.1441 175.6548 85 V 4.8691 8.2633 120.4384 61.5434 34.0149 174.4776 86 Y 4.5757 9.1682 126.9525 57.5148 38.9923 175.3730 87 D 5.1739 8.9740 123.1069 54.2129 42.4558 175.7379 88 I 3.4260 7.7420 123.0219 62.2254 37.4657 175.5098 89 G 3.4597 8.4411 113.8966 45.3326 0.0000 172.6960 90 V 3.3929 7.0617 119.0577 65.8816 32.9609 175.8300 91 I 4.2262 7.0733 124.1206 59.0447 39.8686 173.1583 92 P 4.0392 0.0000 0.0000 64.4348 30.4128 174.3429 93 K 4.1471 9.6276 127.9283 54.8102 29.1406 176.4693 94 K 4.3626 7.5984 123.4144 55.4647 32.8848 178.4842 95 G 4.3552 6.8532 106.9065 46.7245 0.0000 174.0598 96 K 4.5052 9.1013 121.1727 55.8072 33.8335 175.2639 97 R 4.3040 8.8016 117.0864 55.6281 27.3210 178.0880 98 S 4.8855 8.0521 111.0792 58.6096 63.6770 175.7526 99 E 4.1715 8.0189 121.0149 57.3534 27.5499 176.9410 100 R 3.8232 8.1947 115.1394 55.7326 28.6155 175.6809 101 E 3.5507 8.4975 119.3975 57.2402 26.2304 173.5090 102 H 4.6519 8.9878 118.2059 56.8735 25.9293 175.6549 103 S 4.0055 7.5390 112.9424 59.7144 63.0482 174.3823 104 K 3.4692 9.3558 122.3821 55.5289 31.1198 175.8004 105 W 4.7628 6.9616 113.5583 57.3004 33.1036 173.1298 106 V 4.6314 8.1632 123.5667 61.1700 33.5114 173.7372 107 L 4.9630 9.3349 131.4113 53.7872 44.4518 174.6377 108 Y 4.6021 9.0039 124.9413 55.2338 39.0877 172.3439 109 P 4.5248 0.0000 0.0000 62.5336 32.2377 176.1217 110 V 4.6599 8.4779 122.8845 60.1013 35.4778 174.2158 111 S 4.7971 9.5865 118.1865 57.5778 63.1033 175.2068 112 K 4.0308 8.9165 127.5048 58.7974 32.0808 177.1454 113 D 4.8172 7.5489 116.3619 53.9719 41.6105 176.4922 114 E 4.1596 7.8549 120.1913 56.3470 30.0102 176.7258 115 T 4.5629 8.2305 113.1313 60.7608 70.6164 173.8783 116 F 4.9484 7.8244 116.1647 54.6558 40.6729 173.9665 117 D 4.5437 8.3985 122.5229 52.1882 42.8759 176.8477 118 F 4.7035 8.5062 116.1326 58.6429 39.1266 177.6428 119 Y 4.0575 8.1360 117.4615 61.0130 37.8201 177.5567 120 E 3.9565 8.8091 120.2548 59.2153 29.7845 178.5821 121 F 3.7572 8.2263 120.0728 61.3345 39.5559 176.9016 122 A 4.1699 8.5161 120.4505 55.1503 18.1436 179.5353 123 S 4.0139 8.3115 111.6523 61.6055 62.4161 176.4319 124 K 3.7436 7.7999 122.4448 58.8374 31.5970 178.8240 125 N 4.3103 7.8345 116.6985 56.3608 38.7902 177.0488 126 R 3.7787 8.0601 120.3212 59.4518 29.7338 178.9900 127 V 3.6604 8.1812 113.3838 63.5660 31.5347 178.2947 128 A 3.9566 7.7916 120.7613 55.5871 18.2995 179.0768 129 H 4.0125 8.5743 117.2850 59.4465 29.5533 177.4950 130 S 4.1821 8.4236 115.9837 60.5112 62.5529 175.3750 131 T 4.0765 6.8948 110.1583 60.1869 69.3883 174.2952 132 R 3.6972 7.6492 119.3127 58.0462 28.2638 174.9615 133 K 4.7670 7.7146 118.3025 54.6110 35.9706 176.5670 134 K 4.4898 8.2462 120.5012 55.2140 35.4439 175.3981 135 M 4.2492 8.7510 124.8552 56.2411 33.3608 174.5882 136 L 4.8609 10.1244 129.0958 53.7963 44.5773 174.6436 137 M 4.7113 9.2822 127.9972 54.0105 34.1327 175.7744 138 G 3.9126 8.4653 112.1720 43.9818 0.0000 171.4748 139 I 4.3589 8.2769 128.5726 60.8846 38.4686 175.2034 140 V 4.5812 8.7020 127.6378 61.3731 33.7423 174.7574 141 S 4.6376 8.8050 121.7825 57.9943 65.3710 173.7935 142 D 4.4428 8.8298 117.9519 57.1698 40.8412 176.4660 143 K 4.6101 7.8677 117.6480 54.2720 35.0137 174.0820 144 I 4.8379 7.9626 120.8774 59.3556 40.2423 174.9297 145 E 4.5558 8.5159 126.1377 54.3860 32.5440 174.8921 146 F 5.1135 8.7329 122.6708 55.9393 40.9358 175.0031 147 I 4.4505 9.2778 126.4852 59.4528 39.4359 174.2978 148 E 5.0639 8.9292 129.0205 54.9885 30.6124 175.2228 149 V 4.5913 8.4864 127.2423 60.1113 33.2832 175.4815 150 S 4.7823 8.7283 120.4345 56.2634 65.2917 174.0899 151 W 4.5851 8.7479 134.6743 56.3714 29.4356 175.8930 152 K 4.0000 7.8593 124.6749 56.0185 32.8214 177.6976 153 K 4.2021 7.7637 118.4104 54.3828 32.6073 174.8509 154 P 4.2828 0.0000 0.0000 62.6584 31.3497 175.7426 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 I 7.87 4.11 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.91 0.00 0.00 3 G 8.28 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.88 4.94 0.00 2.90 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.90 4.38 0.00 1.50 1.42 1.19 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.03 4.85 0.00 3.11 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.34 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.79 4.55 0.00 1.73 1.73 0.00 0.00 5.65 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.86 4.94 0.00 1.80 1.87 0.00 3.28 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 10 V 9.00 4.74 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 11 L 9.04 4.88 0.00 2.05 1.82 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.75 4.44 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.01 0.00 0.00 13 D 7.79 4.63 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 E 7.92 4.41 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 17 L 8.76 5.01 0.00 1.87 1.68 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.67 0.00 2.21 2.26 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 19 L 8.83 4.26 0.00 1.86 1.63 0.71 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.99 3.93 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.07 0.73 0.00 0.00 21 E 8.28 4.21 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 22 A 8.36 4.20 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.67 4.18 0.00 3.29 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.24 4.61 0.00 3.72 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.00 4.05 0.00 1.83 1.74 1.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.58 4.07 0.00 1.63 1.68 0.71 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.88 4.24 0.00 2.41 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.51 4.03 0.00 1.46 1.60 0.00 1.48 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.62 1.30 7.81 29 G 7.87 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.84 4.63 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 31 L 7.48 4.48 0.00 1.62 1.40 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.64 4.60 0.00 2.04 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 33 V 6.98 4.47 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.21 0.00 0.00 34 Y 7.35 4.37 0.00 2.84 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.39 3.83 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 36 D 7.35 4.82 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.64 4.04 0.00 2.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 K 8.54 4.07 0.00 1.80 1.75 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.49 7.81 43 E 8.68 4.14 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 44 E 8.11 3.94 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 45 F 8.21 4.45 0.00 2.97 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.93 3.39 0.00 1.85 1.64 0.45 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.91 3.82 0.00 2.10 1.86 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.49 7.81 48 K 7.68 3.96 0.00 1.91 1.80 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.68 7.81 49 C 7.60 3.61 0.00 1.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.57 4.20 0.00 1.56 1.66 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.46 3.97 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 52 Y 7.54 4.55 0.00 2.79 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.08 4.40 0.00 2.46 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.82 4.02 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 55 R 8.07 4.46 0.00 1.93 1.97 0.00 3.13 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 56 F 8.28 4.06 0.00 3.29 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.05 4.07 0.00 1.78 1.76 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.76 3.69 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.88 0.92 0.00 0.00 59 R 8.25 4.07 0.00 1.89 2.16 0.00 3.09 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 60 Y 8.42 4.04 0.00 2.34 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.26 3.75 0.00 1.87 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.75 7.81 62 A 7.67 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.87 3.54 0.00 2.70 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.37 3.88 0.00 1.11 1.44 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.66 7.81 65 E 7.87 3.94 0.00 2.45 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 66 L 7.47 3.81 0.00 1.28 1.26 0.34 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.41 4.37 0.00 1.10 1.29 0.00 2.41 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.11 0.00 68 D 7.91 4.47 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.38 4.35 0.00 2.03 1.93 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.57 7.81 70 G 7.76 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.91 4.42 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.59 4.88 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 73 L 8.63 5.44 0.00 1.39 1.61 0.60 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.10 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.83 4.46 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 76 A 8.12 4.72 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.73 3.91 0.00 1.59 1.59 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.74 3.76 0.00 1.62 1.68 0.00 1.23 0.00 0.00 1.39 0.00 0.00 2.49 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.66 0.21 7.81 79 F 7.76 4.73 0.00 3.20 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.56 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.48 4.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.23 4.19 0.00 2.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.02 5.30 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.45 4.93 0.00 1.81 2.12 0.00 2.91 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.50 0.00 85 V 8.26 4.87 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 86 Y 9.17 4.58 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.97 5.17 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.74 3.43 1.59 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.36 0.74 0.00 0.00 89 G 8.44 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.06 3.39 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.98 0.00 0.00 91 I 7.07 4.23 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.57 0.84 0.00 0.00 92 P 0.00 4.04 0.00 1.77 1.13 0.00 3.50 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.51 0.00 93 K 9.63 4.15 0.00 1.78 1.98 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.13 7.81 94 K 7.60 4.36 0.00 1.98 2.04 0.00 1.96 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.65 7.81 95 G 6.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 9.10 4.51 0.00 1.71 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.44 7.81 97 R 8.80 4.30 0.00 1.99 2.05 0.00 3.29 0.00 0.00 3.41 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 98 S 8.05 4.89 0.00 3.90 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.02 4.17 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 100 R 8.19 3.82 0.00 1.93 1.95 0.00 3.51 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 101 E 8.50 3.55 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 102 H 8.99 4.65 0.00 3.37 3.53 0.00 5.76 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.54 4.01 0.00 3.82 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 9.36 3.47 0.00 1.55 1.44 0.00 1.39 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.40 0.41 7.81 105 W 6.96 4.76 0.00 3.28 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.16 4.63 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.87 0.00 0.00 107 L 9.33 4.96 0.00 1.72 1.74 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 9.00 4.60 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.52 0.00 2.03 2.10 0.00 4.02 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 110 V 8.48 4.66 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 111 S 9.59 4.80 0.00 3.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.92 4.03 0.00 1.94 1.82 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.39 7.81 113 D 7.55 4.82 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.85 4.16 0.00 2.23 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 115 T 8.23 4.56 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 116 F 7.82 4.95 0.00 3.14 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.40 4.54 0.00 3.09 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.51 4.70 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 8.14 4.06 0.00 3.25 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.81 3.96 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 121 F 8.23 3.76 0.00 3.20 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.52 4.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.31 4.01 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.80 3.74 0.00 1.44 1.05 0.00 1.23 0.00 0.00 0.89 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.95 7.81 125 N 7.83 4.31 0.00 2.64 2.79 0.00 0.00 6.85 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.06 3.78 0.00 1.98 2.01 0.00 3.01 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 127 V 8.18 3.66 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.12 0.00 0.00 128 A 7.79 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 H 8.57 4.01 0.00 3.16 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.42 4.18 0.00 4.02 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 6.89 4.08 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 132 R 7.65 3.70 0.00 1.88 1.94 0.00 3.04 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 133 K 7.71 4.77 0.00 1.61 1.64 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.21 7.81 134 K 8.25 4.49 0.00 1.61 1.90 0.00 1.88 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.26 7.81 135 M 8.75 4.25 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.61 0.00 136 L 10.12 4.86 0.00 1.69 1.63 0.58 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 137 M 9.28 4.71 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 138 G 8.47 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.28 4.36 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.72 0.86 0.00 0.00 140 V 8.70 4.58 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 141 S 8.81 4.64 0.00 3.95 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.83 4.44 0.00 2.68 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.87 4.61 0.00 1.74 1.59 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.34 7.81 144 I 7.96 4.84 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.69 0.21 0.00 0.00 145 E 8.52 4.56 0.00 1.79 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 146 F 8.73 5.11 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 9.28 4.45 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.72 0.99 0.00 0.00 148 E 8.93 5.06 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 149 V 8.49 4.59 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.04 0.00 0.00 150 S 8.73 4.78 0.00 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 W 8.75 4.59 0.00 3.56 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 7.86 4.00 0.00 1.56 1.44 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.32 7.81 153 K 7.76 4.20 0.00 1.48 1.60 0.00 2.41 0.00 0.00 2.04 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 0.77 7.81 154 P 0.00 4.28 0.00 2.02 1.77 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 * Residues marked with a * may have inaccurate shift predictions.